N-[(Z)-benzylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Formula:C18H15N4OClS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide |
| MolecularFormula | C18H15N4OClS3 |
| Smiles | O=C(CSc1nnc(SCc(cc2)ccc2Cl)s1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C18H15ClN4OS3/c19-15-8-6-14(7-9-15)11-25-17-22-23-18(27-17)26-12-16(24)21-20-10-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,21,24) |
| InChIK | ZMXUAPMQCLKWMY-UHFFFAOYSA-N |
| TotalMolweight | 434.995 |
| Molweight | 434.995 |
| MonoisotopicMass | 434.009648 |
| CLogP | 5.019 |
| CLogS | -7.076 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 318.13 |
| Relative PSA | 0.35611 |
| PolarSurfaceArea | 146.08 |
| Druglikeness | 5.15 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.74074 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-benzylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide | 2 - N-[(Z)-benzylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
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